RefChem:305395
TL;DR: RefChem:305395 (CAS 57458-50-1) is a chemical compound with molecular formula C16H21NO and molecular weight 243.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,2R,3R,11R,13S)-16-methyl-16-azatetracyclo[11.2.1.02,11.04,9]hexadeca-4,6,8-trien-3-ol
Also Known As: 5H-Cyclohepta(b)naphthalen-6,9-imin-5-ol, 5a,6,7,8,9,10,10a,11-octahydro-12-methyl-, (5R-(5-alpha,5a-alpha,6-alpha,9-alpha,10a-alpha))-, (5R,5aR,6R,9S,10aR)-12-Methyl-5a,6,7,8,9,10,10a,11-octahydro-5H-6,9-epiminocyclohepta[b]naphthalen-5-ol, 5H-CYCLOHEPTA(b)NAPHTHALEN-6,9-IMIN-5-OL, 5a,6,7,8,9,10,10a,11-OCTAHYDRO-12-METH, RefChem:305395
| Molecular Formula | C16H21NO |
|---|---|
| Molecular Weight | 243.16 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 23.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 243.16231 |
| Heavy Atoms | 18 |
| Complexity | 331.0 |
Chemical Identifiers
| CAS Number | 57458-50-1 |
|---|---|
| SMILES | CN1[C@H]2CC[C@@H]1[C@H]3[C@@H](C2)CC4=CC=CC=C4[C@@H]3O |
| InChIKey | KLKQXLPLFHRSIS-IPQWEPCOSA-N |
Product Overview
RefChem:305395 (CAS 57458-50-1), with molecular formula C16H21NO and molecular weight 243.16 g/mol. IUPAC: (1R,2R,3R,11R,13S)-16-methyl-16-azatetracyclo[11.2.1.02,11.04,9]hexadeca-4,6,8-trien-3-ol.
Chemical Property Profile of RefChem:305395
Property Insights of RefChem:305395
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:305395. With a topological polar surface area (TPSA) of 23.5 Ų, RefChem:305395 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:305395 has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:305395?
The CAS number of RefChem:305395 is 57458-50-1.
What is the molecular formula of RefChem:305395?
The molecular formula of RefChem:305395 is C16H21NO.
What is the molecular weight of RefChem:305395?
The molecular weight of RefChem:305395 is 243.16 g/mol.
Where can I buy RefChem:305395?
You can request a quote for RefChem:305395 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:305395?
Yes, KEHONG BIO provides custom synthesis services for RefChem:305395 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.